8E3U
Nickel-reconstituted nitrogenase MoFeP mutant S188A from Azotobacter vinelandii after IDS oxidation
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.3.1 |
Synchrotron site | ALS |
Beamline | 8.3.1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-11-02 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 1.48484, 1.50832 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 77.259, 129.009, 107.760 |
Unit cell angles | 90.00, 109.22, 90.00 |
Refinement procedure
Resolution | 79.890 - 1.990 |
R-factor | 0.2049 |
Rwork | 0.202 |
R-free | 0.25290 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2min |
RMSD bond length | 0.019 |
RMSD bond angle | 1.793 |
Data reduction software | iMOSFLM |
Data scaling software | pointless |
Phasing software | PHENIX (1.19.1-4122) |
Refinement software | PHENIX (1.19.1-4122) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 79.890 | 2.020 |
High resolution limit [Å] | 1.990 | 1.990 |
Number of reflections | 136546 | 6751 |
<I/σ(I)> | 3.4 | 0.5 |
Completeness [%] | 99.8 | 99.9 |
Redundancy | 5.6 | 5.2 |
CC(1/2) | 0.939 | 0.003 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.25 | 293 | 18% PEG 8000, 100 mM Tris pH 8.25, 500 mM NaCl, 10 mM dithionite |